CID 13404971

34790-80-2

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CNC(=O)N(C1)CC2=CC=CC=C2

InChI

InChI=1S/C11H14N2O/c14-11-12-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,14)

InChIKey

WKSFKEGGQALVAF-UHFFFAOYSA-N

Compound name

1-benzyl-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 190.11061 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.11789	143.7
[M+Na]+	213.09983	156.5
[M+NH4]+	208.14443	151.8
[M+K]+	229.07377	149.3
[M-H]-	189.10333	146.4
[M+Na-2H]-	211.08528	151.1
[M]+	190.11006	146.1
[M]-	190.11116	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe